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Wishlist: Difference between revisions
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* Option to write out FRAME.PCK for visual control for every nth image, e.g. controlled by a keyword "FRAMEPCK_EVERY_NTH=" with default FRAMEPCK_EVERY_NTH=0 i.e. single FRAME_NTH.PCK as in current version, the option FRAMEPCK_EVERY_NTH=B i.e. writing one FRAME_NTH.PCK per batch in INTEGRATE, and the option to provide an integer number n to get FRAME_NTH.PCK for every nth original image.--[[User:Tmaier|Tmaier]] 13:37, 13 December 2007 (CET) | * Option to write out FRAME.PCK for visual control for every nth image, e.g. controlled by a keyword "FRAMEPCK_EVERY_NTH=" with default FRAMEPCK_EVERY_NTH=0 i.e. single FRAME_NTH.PCK as in current version, the option FRAMEPCK_EVERY_NTH=B i.e. writing one FRAME_NTH.PCK per batch in INTEGRATE, and the option to provide an integer number n to get FRAME_NTH.PCK for every nth original image.--[[User:Tmaier|Tmaier]] 13:37, 13 December 2007 (CET) | ||
* Option to produce harvest files from CORRECT and XSCALE for deposition of structures.--[[User:Graeme|Graeme]] 18 February 2008. Clarifying this in response to question: Mosflm and Scala both produce files which contain information which can be included at deposition - this is produced as separate Harvest files, based on the statistics already generated by the programs. These harvest files are in mmCIF format, and I will upload a couple if I can figure out how. This does require a certain amount of administrative information (a "name" for the project and dataset) but could be easily rectified by adding a keyword: HARVEST_PROJECT= HARVEST_DATASET= which could then produce PROJECT_DATASET.xds or .xscale depending on the program. [[User:Graeme|Graeme]] 30 May 2008. | * Option to produce harvest files from CORRECT and XSCALE for deposition of structures.--[[User:Graeme|Graeme]] 18 February 2008. Clarifying this in response to question: Mosflm and Scala both produce files which contain information which can be included at deposition - this is produced as separate Harvest files, based on the statistics already generated by the programs. These harvest files are in mmCIF format, and I will upload a couple if I can figure out how. This does require a certain amount of administrative information (a "name" for the project and dataset) but could be easily rectified by adding a keyword: HARVEST_PROJECT= HARVEST_DATASET= which could then produce PROJECT_DATASET.xds or .xscale depending on the program. [[User:Graeme|Graeme]] 30 May 2008. | ||
* In CORRECT.LP, there is a section "SUMMARY OF DATA SET STATISTICS FOR VARIOUS SUBSETS OF INCLUDED DATA IMAGES", which outputs data set statistics for a subset of the image with an image increment. They are very useful to determine where I should stop for processing. For example, if I found that the Rmeas and I/sigma of image 1-180 are worse than those of image 1-160. I then will only process image 1-160, because the last 20 images doesn't add more signal to my data. However, the image increment is automatically determined by CORRECT, which is a rather large number. It would be nice to have an option to set the image increment by users to help determine when the crystal dies. --[[User:Jzhu|Jzhu]] 04:53, 27 June 2011 (CEST) ''Comment: CORRECT prints statistics for | * In CORRECT.LP, there is a section "SUMMARY OF DATA SET STATISTICS FOR VARIOUS SUBSETS OF INCLUDED DATA IMAGES", which outputs data set statistics for a subset of the image with an image increment. They are very useful to determine where I should stop for processing. For example, if I found that the Rmeas and I/sigma of image 1-180 are worse than those of image 1-160. I then will only process image 1-160, because the last 20 images doesn't add more signal to my data. However, the image increment is automatically determined by CORRECT, which is a rather large number. It would be nice to have an option to set the image increment by users to help determine when the crystal dies. --[[User:Jzhu|Jzhu]] 04:53, 27 June 2011 (CEST) ''Comment: CORRECT prints statistics for 9 pieces of the DATA_RANGE. In the absence of an option to modify that number, the workaround is probably to run XDSSTAT to get Rmeas and I/sigma of the individual frames.'' --[[User:Kay|Kay]] 11:08, 2 April 2012 (CEST) | ||
== Cosmetical == | == Cosmetical == | ||